4-(1-hydroxyethylamino)-3-nitro-benzenesulfonic acid

Systemtic Name: 4-(1-hydroxyethylamino)-3-nitro-benzenesulfonic acid Openeye Name: 4-(1-hydroxyethylamino)-3-nitro-benzenesulfonic acid CAS Name: 4-(1-hydroxyethylamino)-3-nitrobenzenesulfonic acid IUPAC Name: 4-(1-hydroxyethylamino)-3-nitrobenzenesulfonic acid Traditional Name: 4-(1-hydroxyethylamino)-3-nitro-besylic acid Formula: C8H10N2O6S MolecularWeight: 262.2398

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=C(C=C(C=C1)S(=O)(=O)O)[N+](=O)[O-])O

Isomeric SMILES

CC(NC1=C(C=C(C=C1)S(=O)(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C8H10N2O6S/c1-5(11)9-7-3-2-6(17(14,15)16)4-8(7)10(12)13/h2-5,9,11H,1H3,(H,14,15,16)